%chk=000284769.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000284769

0 1
S -7.431178 0.560357 -0.073131
P -8.277348 -1.310599 -0.084493
O -7.361471 -2.102955 -1.217406
O -7.602803 -1.903465 1.307598
O -9.729627 -1.478995 -0.250519
N 3.703793 -1.125502 0.443863
N 0.799514 1.183368 1.061364
N -3.533180 1.308308 0.664608
C 2.852888 -0.158286 1.190091
C 1.651463 0.224123 0.295321
C -0.517212 1.413923 0.389354
C -1.353494 2.370829 1.254487
C -2.756982 2.587993 0.671073
C 3.673471 -2.511858 0.983503
C 4.862886 -0.661231 -0.221374
C 5.026605 0.714245 -0.504511
C 4.522223 -2.701758 2.241155
C -4.995933 1.549189 0.454161
C 5.830706 -1.579283 -0.701986
C 6.122109 1.155701 -1.255603
C -5.654026 0.187130 0.246441
C 6.911038 -1.119321 -1.448577
C 7.071804 0.239747 -1.731374
C 6.268638 2.616426 -1.548317
H 3.425880 0.747131 1.488985
H 2.481188 -0.604656 2.139391
H 1.059146 -0.687884 0.061896
H 2.006704 0.620259 -0.680078
H -0.420911 1.812743 -0.642905
H -1.042564 0.435040 0.298745
H -1.414770 1.972062 2.288210
H -0.845037 3.350291 1.346556
H 1.295633 2.076080 1.161187
H -2.683953 2.932134 -0.386024
H -3.264484 3.401345 1.235686
H 4.014511 -3.207801 0.181243
H 2.610944 -2.774197 1.189765
H -3.388265 0.808460 1.549965
H 4.302317 1.440165 -0.149935
H -5.473408 2.099822 1.296133
H -5.117866 2.183201 -0.455685
H 5.571418 -2.430418 2.063130
H 4.168730 -2.081736 3.072517
H 4.504255 -3.744168 2.576855
H 5.731259 -2.641839 -0.503136
H -5.209362 -0.347896 -0.619449
H -5.543408 -0.470249 1.132250
H 7.647484 -1.833791 -1.818003
H 7.921413 0.578639 -2.313133
H 5.445744 2.974351 -2.182964
H 6.254968 3.213298 -0.626279
H 7.204722 2.851204 -2.070823
H -7.833998 -2.712596 -1.839549
H -7.999373 -2.719581 1.704118


%chk=000284769-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000284769

0 1
S -7.353257 0.543921 -0.155207
P -7.759061 -1.604848 -0.707307
O -6.497920 -2.142145 -1.792252
O -7.127756 -2.412470 0.680574
O -9.229656 -1.929289 -1.204639
N 3.742428 -1.045766 0.775753
N 0.795617 1.293061 1.339444
N -3.577874 1.588295 1.175775
C 2.897600 -0.017875 1.402767
C 1.591994 0.275873 0.621931
C -0.547788 1.554369 0.776699
C -1.326817 2.545420 1.663305
C -2.756255 2.822273 1.155540
C 3.588195 -2.423441 1.280081
C 4.710889 -0.720729 -0.190774
C 4.800639 0.600321 -0.737140
C 4.541948 -2.772047 2.448787
C -4.950778 1.735379 0.652330
C 5.644223 -1.694507 -0.668266
C 5.768002 0.946331 -1.706578
C -5.539323 0.332998 0.422941
C 6.602798 -1.347897 -1.641029
C 6.680866 -0.039125 -2.163857
C 5.806779 2.354403 -2.281063
H 3.476029 0.919149 1.532183
H 2.617466 -0.349478 2.419526
H 0.991350 -0.652876 0.564174
H 1.842427 0.559157 -0.429141
H -0.514020 1.949795 -0.270866
H -1.101166 0.598698 0.731969
H -1.357398 2.147410 2.697533
H -0.782433 3.511110 1.714871
H 1.326823 2.169152 1.456146
H -2.715129 3.183940 0.108529
H -3.206418 3.645939 1.763337
H 3.728117 -3.137955 0.447500
H 2.540725 -2.545297 1.615873
H -3.570505 1.151513 2.108833
H 4.094756 1.374220 -0.418078
H -5.623988 2.330489 1.317944
H -4.895075 2.274217 -0.312025
H 5.597617 -2.667886 2.143773
H 4.369812 -2.097934 3.307562
H 4.377632 -3.811525 2.789858
H 5.638295 -2.714781 -0.274591
H -4.982900 -0.205025 -0.359204
H -5.567709 -0.268503 1.344765
H 7.308284 -2.114175 -1.984383
H 7.437140 0.217445 -2.914495
H 5.354537 2.384749 -3.291519
H 5.253478 3.069810 -1.647423
H 6.845522 2.719145 -2.378885
H -6.719954 -2.064755 -2.755365
H -6.776006 -3.320748 0.488180


